SCHEMBL7970193

SCHEMBL7970193

O=[N+]([O-])c1ccc2[nH]c(C3CCNCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RIPK1 Q13546 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3576328 0.92 ALDH1A1 (0.52) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL7970187 0.89 ALDH1A1 (0.56) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL23010726 0.89 RAB9A (0.53) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL14447532 0.88 RAB9A (0.55) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL14447530 0.86 ALDH1A1 (0.48) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL14447526 0.83 HRH4 (0.47) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL14447527 0.81 ALDH1A1 (0.45) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL4769195 0.81 SCN10A (0.50) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL4769192 0.81 SCN10A (0.50) ALDH1A1RIPK1MAPTMEN1KMT2A
SCHEMBL7035367 0.80 ALDH1A1 (0.61) ALDH1A1RIPK1MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed